3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol

C10H20O3S2 — CID 79949924

IUPAC3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CSC(C)C1
InChIInChI=1S/C10H20O3S2/c1-3-15(12,13)6-4-5-10(11)7-9(2)14-8-10/h9,11H,3-8H2,1-2H3
InChIKeyJKISJZLXKOXCAJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.46
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol

3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol (PubChem CID 79949924) has the molecular formula C10H20O3S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol
PubChem CID79949924
Molecular FormulaC10H20O3S2
Molecular Weight252.40 g/mol
Exact Mass252.09
IUPAC Name3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol
SMILESCCS(=O)(=O)CCCC1(O)CSC(C)C1
InChIInChI=1S/C10H20O3S2/c1-3-15(12,13)6-4-5-10(11)7-9(2)14-8-10/h9,11H,3-8H2,1-2H3
InChIKeyJKISJZLXKOXCAJ-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147372
5-methyl-3-(3-methylbutyl)thiolan-3-ol
CID 79949218
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
3-(3-ethylsulfonylpropyl)pyrrolidin-3-ol
CID 65145628
3-(2-ethylhexyl)-5-methylthiolan-3-ol
CID 79950398
3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
1-(3-ethylsulfonylpropyl)-4-propan-2-ylcycloheptan-1-ol
CID 65151467
1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol
CID 112642022
1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 81468436
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
3-[(5-bromofuran-2-yl)methyl]-5-methylthiolan-3-ol
CID 131067612

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol (CID 79949924) is 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol is CCS(=O)(=O)CCCC1(O)CSC(C)C1.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol?
The InChIKey is JKISJZLXKOXCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S2/c1-3-15(12,13)6-4-5-10(11)7-9(2)14-8-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol?
3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol has a molecular weight of 252.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-5-methylthiolan-3-ol is sourced from PubChem (CID 79949924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).